Materials Data on In7Cu10 by Materials Project
Cu10In7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to seven Cu and four In atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.72 Å. There are three shorter (2.73 Å) and one longer (2.76 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded to six Cu and six In atoms to form corner-sharing CuIn6Cu6 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.78 Å. There are a spread of Cu–In bond distances ranging from 2.90–3.04 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to four Cu and six In atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.68–2.70 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to six Cu and five In atoms. There are one shorter (2.66 Å) and two longer (2.77 Å) Cu–Cu bond lengths. There are a spread of Cu–In bond distances ranging from 2.63–2.86 Å. In the fifth Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.78 Å. There are a spread of Cu–In bond distances ranging from 2.64–3.11 Å. In the sixth Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. The Cu–Cu bond length is 2.67 Å. There are a spread of Cu–In bond distances ranging from 2.66–3.02 Å. In the seventh Cu site, Cu is bonded in a 11-coordinate geometry to five Cu and six In atoms. The Cu–Cu bond length is 2.70 Å. There are a spread of Cu–In bond distances ranging from 2.71–2.85 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to seven Cu and one In atom. The In–In bond length is 3.10 Å. In the second In site, In is bonded in a 8-coordinate geometry to eight Cu atoms. In the third In site, In is bonded in a 9-coordinate geometry to eight Cu and one In atom. In the fourth In site, In is bonded in a 11-coordinate geometry to ten Cu and one In atom. The In–In bond length is 3.10 Å. In the fifth In site, In is bonded in a 8-coordinate geometry to eight Cu and one In atom.